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2-((2-((4-Methoxyphenyl)thio)ethyl)thio)-1H-benzo[d]imidazole
SpectraBase Compound ID DkMQeE0hO1J
InChI InChI=1S/C16H16N2OS2/c1-19-12-6-8-13(9-7-12)20-10-11-21-16-17-14-4-2-3-5-15(14)18-16/h2-9H,10-11H2,1H3,(H,17,18)
InChIKey RVXSFTUXMYYSCT-UHFFFAOYSA-N
Mol Weight 316.44 g/mol
Molecular Formula C16H16N2OS2
Exact Mass 316.070405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtocBm2pdxJ
Name 2-((2-((4-Methoxyphenyl)thio)ethyl)thio)-1H-benzo[d]imidazole
Appearance Colorless oil
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Formula C16H16N2OS2
InChI InChI=1S/C16H16N2OS2/c1-19-12-6-8-13(9-7-12)20-10-11-21-16-17-14-4-2-3-5-15(14)18-16/h2-9H,10-11H2,1H3,(H,17,18)
InChIKey RVXSFTUXMYYSCT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.7b00100
Reported Formula C16H16ON2S2
SMILES [nH]1c2c(nc1SCCSc1ccc(OC)cc1)cccc2
SPLASH splash10-014i-0900000000-7814ee40c0a89c1a1e98
Source of Spectrum MCS-8-SM24-11b
Thin-Layer Chromatography Rf = 0.53 (CH/EE, 2:1)
Wiley ID 1870721